SCHEMBL1238297

SCHEMBL1238297

CNCCC(NCCCOc1ccc2c(ccc(=O)n2C)c1)c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 7/20 0.47
▸ SLC2A1 P11166 1/20 0.36
▸ ADRB3 P13945 1/20 0.35
▸ CACNA2D1 P54289 2/20 0.34
▸ BRPF1 P55201 3/20 0.34
▸ ITGB3 P05106 3/20 0.34
▸ ITGAV P06756 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ITGB5 P18084 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL15986397 0.99 KCNA5 (0.47) KCNA5SLC2A1ADRB3CACNA2D1BRPF1
Hydrochloric Acid SCHEMBL12081536 0.87 KCNA5 (0.53) KCNA5SLC2A1ITGB3ITGAVALDH1A1
Hydrochloric Acid SCHEMBL12080922 0.86 KCNA5 (0.62) KCNA5SLC2A1ITGB3ITGAVALDH1A1
SCHEMBL12080832 0.85 KCNA5 (0.58) KCNA5
Hydrochloric Acid SCHEMBL15986365 0.84 KCNA5 (0.57) KCNA5
SCHEMBL12081591 0.82 KCNA5 (0.56) KCNA5
Hydrochloric Acid SCHEMBL15986393 0.82 KCNA5 (0.44) KCNA5ITGB3ITGAVALDH1A1ITGB5
Hydrochloric Acid SCHEMBL15986337 0.82 KCNA5 (0.56) KCNA5
SCHEMBL15986373 0.81 KCNA5 (0.43) KCNA5CYP2D6HRH3
Hydrochloric Acid SCHEMBL12080707 0.79 KCNA5 (0.56) KCNA5ADRB3ITGB3ITGAVALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9212187-B2 Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-15 — — US disclosed
US-20140343278-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION OTSUKA PHARMA CO LTD (JP) 2014-11-20 — — US disclosed
US-20140343277-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION OTSUKA PHARCACEUTICAL CO LTD (JP) 2014-11-20 — — US disclosed
US-8822453-B2 Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 — — US disclosed
EP-2467364-A2 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION Otsuka Pharmaceutical Co., Ltd. (JP) 2012-06-27 — — EP disclosed
WO-2011021726-A2 NITROGEN-CONTAINING COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-02-24 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140343277-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 KCNA5 9/4885SLC2A1 3780/4885ADRB3 193/4885
US-20140343278-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 KCNA5 9/4885SLC2A1 3780/4885ADRB3 193/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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